zinc 2-[4-[13,13-dimethyl-20-(4-methylphenyl)-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane

Systemtic Name: zinc 2-[4-[13,13-dimethyl-20-(4-methylphenyl)-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane Openeye Name: zinc 2-[4-[13,13-dimethyl-20-(p-tolyl)-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane CAS Name: zinc 2-[4-[13,13-dimethyl-20-(4-methylphenyl)-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethylsilane IUPAC Name: zinc 2-[4-[13,13-dimethyl-20-(4-methylphenyl)-12H-porphyrin-21,24-diid-5-yl]phenyl]ethynyl-trimethylsilane Traditional Name: zinc 2-[4-[13,13-dimethyl-20-(p-tolyl)-12H-porphine-21,24-diid-5-yl]phenyl]ethynyl-trimethyl-silane Formula: C40H36N4SiZn MolecularWeight: 666.23514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C#C[Si](C)(C)C)C=C5)CC4(C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C#C[Si](C)(C)C)C=C5)CC4(C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C40H36N4Si.Zn/c1-26-7-11-28(12-8-26)38-34-18-16-31(42-34)24-37-40(2,3)25-32(43-37)23-30-15-17-33(41-30)39(36-20-19-35(38)44-36)29-13-9-27(10-14-29)21-22-45(4,5)6;/h7-20,23-24H,25H2,1-6H3;/q-2;+2